[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane

C30H70O12S4Si4 — CID 102409474

IUPAC[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)C(SSSSC(C(C)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H70O12S4Si4/c1-15-31-47(32-16-2,33-17-3)27(13)29(49(37-21-7,38-22-8)39-23-9)43-45-46-44-30(50(40-24-10,41-25-11)42-26-12)28(14)48(34-18-4,35-19-5)36-20-6/h27-30H,15-26H2,1-14H3
InChIKeyYURSOPYOJSZDFU-UHFFFAOYSA-N
MW863.49 g/mol
LogP8.45
Rot. Bonds35

About [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane

[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane (PubChem CID 102409474) has the molecular formula C30H70O12S4Si4 and a molecular weight of 863.49 g/mol. Its IUPAC name is [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane.

Molecular Properties

Compound Name[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
PubChem CID102409474
Molecular FormulaC30H70O12S4Si4
Molecular Weight863.49 g/mol
Exact Mass862.28
IUPAC Name[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)C(SSSSC(C(C)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H70O12S4Si4/c1-15-31-47(32-16-2,33-17-3)27(13)29(49(37-21-7,38-22-8)39-23-9)43-45-46-44-30(50(40-24-10,41-25-11)42-26-12)28(14)48(34-18-4,35-19-5)36-20-6/h27-30H,15-26H2,1-14H3
InChIKeyYURSOPYOJSZDFU-UHFFFAOYSA-N
XLogP8.45
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.49
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-[1-(trisulfanyl)propyl]silane
CID 18355895
1-triethoxysilylpropyl thiohypochlorite
CID 175012038
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
1-chloropropyl(triethoxy)silane;ethanol
CID 174653765
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
CID 54501900
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
N-(2-triethoxysilylpropyl)ethanimine
CID 141202089
N-(2-triethoxysilylpropyl)propan-2-imine
CID 141152918
[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
CID 23283769

Frequently Asked Questions

What is the IUPAC name of [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane?
The IUPAC name of [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane (CID 102409474) is [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane.
What is the SMILES notation for [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane?
The canonical SMILES for [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane is CCO[Si](OCC)(OCC)C(C)C(SSSSC(C(C)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane?
The InChIKey is YURSOPYOJSZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O12S4Si4/c1-15-31-47(32-16-2,33-17-3)27(13)29(49(37-21-7,38-22-8)39-23-9)43-45-46-44-30(50(40-24-10,41-25-11)42-26-12)28(14)48(34-18-4,35-19-5)36-20-6/h27-30H,15-26H2,1-14H3.
What are the key properties of [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane?
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane has a molecular weight of 863.49 g/mol, XLogP of 8.45, 35 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane is sourced from PubChem (CID 102409474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).